SCHEMBL4117909

SCHEMBL4117909

O=C(NCCOC1CCCCO1)Nc1ccc2nc(N[C@@H]3CCc4ccccc43)ccc2c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PRMT3 O60678 3/20 0.36
EPHX1 P07099 1/20 0.35
NPC1 O15118 1/20 0.35
TAOK3 Q9H2K8 1/20 0.35
HPGDS O60760 1/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 1/20 0.35
ALDH1A1 P00352 2/20 0.35
EPHX2 P34913 2/20 0.34
KDM4C Q9H3R0 1/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
NPY1R P25929 1/20 0.34
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3408302 0.85 ALDH1A1 (0.46) NPC1TAOK3HPGDSJAK2JAK1
SCHEMBL3400060 0.81 EPHX2 (0.50) PRMT3EPHX1NPC1TAOK3EPHX2
SCHEMBL3409176 0.81 ATM (0.41) NPC1TAOK3HPGDSEPHX2HTT
SCHEMBL4109646 0.80 EPHX1 (0.42) PRMT3EPHX1NPC1TAOK3HPGDS
SCHEMBL3409181 0.80 SMN1; SMN2 (0.46) PRMT3EPHX2MAPTLMNA
SCHEMBL3406496 0.80 EPHX1 (0.50) EPHX1NPC1TAOK3EPHX2
SCHEMBL3411432 0.79 EPHX2 (0.38) PRMT3EPHX1NPC1TAOK3HPGDS
SCHEMBL3403165 0.78 KMT2A (0.48) NPC1TAOK3HPGDSALDH1A1KMT2A
SCHEMBL3413540 0.78 RAB9A (0.50) EPHX1NPC1JAK2JAK1TYK2
SCHEMBL3411790 0.77 NPC1 (0.42) NPC1HPGDSJAK2JAK1TYK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US claimed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 US claimed
US-8183380-B2 2-aminoquinolines HOFFMANN-LA ROCHE INC. (US) 2012-05-22 US disclosed
US-20090227570-A1 2-AMINOQUINOLINES HOFFMANN-LA ROCHE, INC. 2009-09-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090227570-A1 2-AMINOQUINOLINES HTR5A, HTR2C, HTR2A PRMT3 336/4885EPHX1 1933/4885NPC1 2931/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.